5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine

C14H16BrN3O2 — CID 80866160

IUPAC5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H16BrN3O2/c1-3-16-14-17-8-12(15)13(18-14)20-9-10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyFWSRIWXLYYWUEF-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.26
Rot. Bonds6

About 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine

5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine (PubChem CID 80866160) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
PubChem CID80866160
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H16BrN3O2/c1-3-16-14-17-8-12(15)13(18-14)20-9-10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyFWSRIWXLYYWUEF-UHFFFAOYSA-N
XLogP3.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
2-N-ethyl-5-fluoro-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 80771381
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
N-ethyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-amine
CID 80865438
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine (CID 80866160) is 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine is CCNc1ncc(Br)c(OCc2ccc(OC)cc2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine?
The InChIKey is FWSRIWXLYYWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-16-14-17-8-12(15)13(18-14)20-9-10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine?
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine has a molecular weight of 338.21 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 80866160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).